[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane

C12H26O2Si — CID 91698240

IUPAC[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane
SMILESC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6-7,12H,8-11H2,1-5H3/b7-6+
InChIKeyASFLHHGKMHDFLJ-VOTSOKGWSA-N
MW230.42 g/mol
LogP3.73
Rot. Bonds8

About [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane

[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698240) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane
PubChem CID91698240
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane
SMILESC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6-7,12H,8-11H2,1-5H3/b7-6+
InChIKeyASFLHHGKMHDFLJ-VOTSOKGWSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Silane, dimethyl(but-2-enyloxy)pentyloxy-
CID 91697223
Silane, dimethyl(but-2-enyloxy)isobutoxy-
CID 91697286
Silane, dimethyl(but-3-enyloxy)isohexyloxy-
CID 91698242
Silane, dimethyl(3-methylbut-2-enyloxy)isohexyloxy-
CID 91736453
4-Methyl-1-(dimethyl(prop-2-enyl)silyloxy)pentane
CID 554758

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane (CID 91698240) is [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane is C/C=C/CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
The InChIKey is ASFLHHGKMHDFLJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6-7,12H,8-11H2,1-5H3/b7-6+.
What are the key properties of [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane?
[(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane has a molecular weight of 230.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).